3-butyl-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 3-butyl-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 3-butyl-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 3-butyl-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 3-butyl-4-[(4-nitrophenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 3-butyl-4-(4-nitrobenzyl)-1H-1,2,4-triazole-5-thione Formula: C13H16N4O2S MolecularWeight: 292.35674

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NNC(=S)N1CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=NNC(=S)N1CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N4O2S/c1-2-3-4-12-14-15-13(20)16(12)9-10-5-7-11(8-6-10)17(18)19/h5-8H,2-4,9H2,1H3,(H,15,20)